] desiring untouched ligand
Hi all and thanks for your input.
I am trying to fix a sugar chain that has consecutive glucoses and I need the
angle C-O-C to be as close to 104 degrees as possible keeping alpha bonds
between the sugars, so when I do a Real Space Refinement in Coot, the structure
gives
Hi all and thanks for your input.
I am trying to fix a sugar chain that has consecutive glucoses and I need the
angle C-O-C to be as close to 104 degrees as possible keeping alpha bonds
between the sugars, so when I do a Real Space Refinement in Coot, the structure
gives angles close enough to
Remie,
Look at the following webpage:
http://www.ysbl.york.ac.uk/refmac/data/refmac_news.html
The harmonic restraints need to go into a "keyword" file that is uploaded
to the "refmac keyword field" field in the GUI.
Philip
On Thu, Aug 14, 2014 at 11:11 AM, Remie Fawaz-Touma
wrote:
> Thank y
Thank you Dr. Murshudov for the information. But please I still need help.
In restrained refinement, I could not find where to enter the residues I want
to restrict from moving much. I was only able to find that in rigid body
refinement, so I tried it and got a higher R factor than the initial f
Hi Remie,
You can add harmonic restraints for parts you do not want to move too much.
Instructions could be found here:
http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/content/refmac/refmac_keywords.html#Harmonic
Regards
Garib
On 13 Aug 2014, at 15:44, Remie Fawaz-Touma wrote:
> Hi everyone,
Hi everyone,
Does anyone know of a way to refine with CCP4 - Refmac5 (restrained refinement
is what I do) fixing a part of the the ligand?
Thank you very much for your input,
Remie
